2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride

C23H22ClFN4O4S — CID 44900236

About 2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride

2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride (PubChem CID 44900236) has the molecular formula C23H22ClFN4O4S and a molecular weight of 504.97 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
• PubChem CID: 44900236
• Molecular Formula: C23H22ClFN4O4S
• Molecular Weight: 504.97 g/mol
• Exact Mass: 504.10
• IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
• SMILES: Cl.O=C1c2ccccc2C(=O)N1CC(=O)N(CCN1CCOCC1)c1nc2c(F)cccc2s1
• InChI: InChI=1S/C23H21FN4O4S.ClH/c24-17-6-3-7-18-20(17)25-23(33-18)27(9-8-26-10-12-32-13-11-26)19(29)14-28-21(30)15-4-1-2-5-16(15)22(28)31;/h1-7H,8-14H2;1H
• InChIKey: UWGIJHLPGUAQEL-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 83.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.97
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride?

The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride (CID 44900236) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride.

What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride?

The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride is Cl.O=C1c2ccccc2C(=O)N1CC(=O)N(CCN1CCOCC1)c1nc2c(F)cccc2s1.

What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride?

The InChIKey is UWGIJHLPGUAQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4S.ClH/c24-17-6-3-7-18-20(17)25-23(33-18)27(9-8-26-10-12-32-13-11-26)19(29)14-28-21(30)15-4-1-2-5-16(15)22(28)31;/h1-7H,8-14H2;1H.

What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride?

2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride has a molecular weight of 504.97 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 44900236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).